Tetrasodium 3,3'-(carbonyldiimino)bis[6-({1,3-dioxo-1-[(4-sulfonatophenyl)amino]-2-butanyl}diazenyl)benzoate]
[CAS 72749-85-0]

Identification

• Name: Tetrasodium 3,3'-(carbonyldiimino)bis[6-({1,3-dioxo-1-[(4-sulfonatophenyl)amino]-2-butanyl}diazenyl)benzoate]
• Synonyms: Benzoic acid, 3,3'-(carbonyldiimino)bis[6-[[2-oxo-1-[[(4-sulfophenyl)amino]carbonyl]propyl]azo]-, tetrasodium salt
• Molecular Formula: C₃₅H₂₆N₈Na₄O₁₅S₂
• Molecular Weight: 954.71
• CAS Registry Number: 72749-85-0
• SMILES: CC(=O)C(C(=O)Nc1ccc(cc1)S(=O)(=O)[O-])N=Nc2ccc(cc2C(=O)[O-])NC(=O)Nc3ccc(c(c3)C(=O)[O-])N=NC(C(=O)C)C(=O)Nc4ccc(cc4)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C35H30N8O15S2.4Na/c1-17(44)29(31(46)36-19-3-9-23(10-4-19)59(53,54)55)42-40-27-13-7-21(15-25(27)33(48)49)38-35(52)39-22-8-14-28(26(16-22)34(50)51)41-43-30(18(2)45)32(47)37-20-5-11-24(12-6-20)60(56,57)58;;;;/h3-16,29-30H,1-2H3,(H,36,46)(H,37,47)(H,48,49)(H,50,51)(H2,38,39,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4
• InChIKey: HGKOMMCIIIKIAN-UHFFFAOYSA-J